methyl 6-[(2-quinolinylcarbonyl)amino]hexanoate | 1097587-43-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: methyl 6-[(2-quinolinylcarbonyl)amino]hexanoate
• 英文别名: Methyl 6-[(2-quinolinylcarbonyl)amino] hexanoate；methyl 6-(quinoline-2-carbonylamino)hexanoate
• CAS: 1097587-43-3
• 化学式: C₁₇H₂₀N₂O₃
• 分子量: 300.357
• InChiKey: VMWBMZJNODBMKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 6-[(2-quinolinylcarbonyl)amino]hexanoate 在 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 0.25h， 以62%的产率得到6-[(2-quinolinylcarbonyl)amino]hexanoic acid
  参考文献：
  名称：

  Synthesis of 2-quinolinecarboxamide derivatives as potential HDAC inhibitors

  摘要：

  Inhibition of histone deacetylase activity appears as an original and effective approach for the treatment of cancer. A series of novel quinoline-containing derivatives has been synthesized and found that some of these compounds possess nanomolar histone deacetylase inhibitory activity.

  DOI：

  10.1007/s10593-011-0825-x
• 作为产物：
  描述：

  喹哪啶酸 、 (6-甲氧基-6-氧代己基)胺 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以60%的产率得到methyl 6-[(2-quinolinylcarbonyl)amino]hexanoate
  参考文献：
  名称：

  Synthesis of 2-quinolinecarboxamide derivatives as potential HDAC inhibitors

  摘要：

  Inhibition of histone deacetylase activity appears as an original and effective approach for the treatment of cancer. A series of novel quinoline-containing derivatives has been synthesized and found that some of these compounds possess nanomolar histone deacetylase inhibitory activity.

  DOI：

  10.1007/s10593-011-0825-x

文献信息

• Synthesis of 2-quinolinecarboxamide derivatives as potential HDAC inhibitors
  作者：O. Habarova、O. Bobiļeva、E. Loža、N. Romančikova

  DOI：10.1007/s10593-011-0825-x

  日期：2011.9

  Inhibition of histone deacetylase activity appears as an original and effective approach for the treatment of cancer. A series of novel quinoline-containing derivatives has been synthesized and found that some of these compounds possess nanomolar histone deacetylase inhibitory activity.